General Information of the Compound
| Compound ID |
CP0556836
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| Compound Name |
US8802711, 139
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| Structure |
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| Formula |
C25H28FN3O
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| Molecular Weight |
405.517
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| Canonical SMILES |
CC(C)Cc1cc2c(NC(=O)N[C@@H]3CC[C@@H](C3)c3ccccc3)c(F)ccc2cn1
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| InChI |
InChI=1S/C25H28FN3O/c1-16(2)12-21-14-22-19(15-27-21)9-11-23(26)24(22)29-25(30)28-20-10-8-18(13-20)17-6-4-3-5-7-17/h3-7,9,11,14-16,18,20H,8,10,12-13H2,1-2H3,(H2,28,29,30)/t18-,20+/m0/s1
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| InChIKey |
ASPDTLYCFOPVFV-AZUAARDMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound